MMsINC Database Search


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MMsINC code: MMs02501418

Type: Neutral
Formula: C₂₄H₂₆O₂

SMILES:

O(C(c1ccccc1)(c1ccccc1)c1ccccc1)CCCC(O)C

InChI:

InChI=1/C24H26O2/c1-20(25)12-11-19-26-24(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18,20,25H,11-12,19H2,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.605 kcal/mol

Physical Properties
Molecular Weight: 346.47 g/mol	logS: -5.56509	SlogP: 5.4676	Reactive groups: 0

Topological Properties
Globularity: 0.325472	Sterimol/B1: 5.12618	Sterimol/B2: 5.59637	Sterimol/B3: 6.16828
Sterimol/B4: 6.30041	Sterimol/L: 15.735

Surface and Volume Properties
Accessible surface: 633.657	Positive charged surface: 395.078	Negative charged surface: 238.579	Volume: 366.875
Hydrophobic surface: 567.073	Hydrophilic surface: 66.584

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.